(6S)-4-(3-fluoro-2-pyridinyl)-6-methylpiperazin-2-one

C10H12FN3O — CID 129487999

IUPAC(6S)-4-(3-fluoro-2-pyridinyl)-6-methylpiperazin-2-one
SMILESC[C@H]1CN(c2ncccc2F)CC(=O)N1
InChIInChI=1S/C10H12FN3O/c1-7-5-14(6-9(15)13-7)10-8(11)3-2-4-12-10/h2-4,7H,5-6H2,1H3,(H,13,15)/t7-/m0/s1
InChIKeyADIKUTCTGUZIDP-ZETCQYMHSA-N
MW209.22 g/mol
LogP0.55
Rot. Bonds1

About (6S)-4-(3-fluoro-2-pyridinyl)-6-methylpiperazin-2-one

(6S)-4-(3-fluoro-2-pyridinyl)-6-methylpiperazin-2-one (PubChem CID 129487999) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is (6S)-4-(3-fluoro-2-pyridinyl)-6-methylpiperazin-2-one.

Molecular Properties

Compound Name(6S)-4-(3-fluoro-2-pyridinyl)-6-methylpiperazin-2-one
PubChem CID129487999
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name(6S)-4-(3-fluoro-2-pyridinyl)-6-methylpiperazin-2-one
SMILESC[C@H]1CN(c2ncccc2F)CC(=O)N1
InChIInChI=1S/C10H12FN3O/c1-7-5-14(6-9(15)13-7)10-8(11)3-2-4-12-10/h2-4,7H,5-6H2,1H3,(H,13,15)/t7-/m0/s1
InChIKeyADIKUTCTGUZIDP-ZETCQYMHSA-N
XLogP0.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-4-(3-fluoro-2-pyridinyl)-6-methylpiperazin-2-one?
The IUPAC name of (6S)-4-(3-fluoro-2-pyridinyl)-6-methylpiperazin-2-one (CID 129487999) is (6S)-4-(3-fluoro-2-pyridinyl)-6-methylpiperazin-2-one.
What is the SMILES notation for (6S)-4-(3-fluoro-2-pyridinyl)-6-methylpiperazin-2-one?
The canonical SMILES for (6S)-4-(3-fluoro-2-pyridinyl)-6-methylpiperazin-2-one is C[C@H]1CN(c2ncccc2F)CC(=O)N1.
What is the InChIKey of (6S)-4-(3-fluoro-2-pyridinyl)-6-methylpiperazin-2-one?
The InChIKey is ADIKUTCTGUZIDP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12FN3O/c1-7-5-14(6-9(15)13-7)10-8(11)3-2-4-12-10/h2-4,7H,5-6H2,1H3,(H,13,15)/t7-/m0/s1.
What are the key properties of (6S)-4-(3-fluoro-2-pyridinyl)-6-methylpiperazin-2-one?
(6S)-4-(3-fluoro-2-pyridinyl)-6-methylpiperazin-2-one has a molecular weight of 209.22 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(3-fluoro-2-pyridinyl)-6-methylpiperazin-2-one is sourced from PubChem (CID 129487999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).